3-[(2-chloro-3-pyridinyl)-(cyclopropanecarbonyl)amino]-2-methylpropanoic acid

C13H15ClN2O3 — CID 82321311

IUPAC3-[(2-chloro-3-pyridinyl)-(cyclopropanecarbonyl)amino]-2-methylpropanoic acid
SMILESCC(CN(C(=O)C1CC1)c1cccnc1Cl)C(=O)O
InChIInChI=1S/C13H15ClN2O3/c1-8(13(18)19)7-16(12(17)9-4-5-9)10-3-2-6-15-11(10)14/h2-3,6,8-9H,4-5,7H2,1H3,(H,18,19)
InChIKeyKDQXYLBJNXJKPF-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.20
Rot. Bonds5

About 3-[(2-chloro-3-pyridinyl)-(cyclopropanecarbonyl)amino]-2-methylpropanoic acid

3-[(2-chloro-3-pyridinyl)-(cyclopropanecarbonyl)amino]-2-methylpropanoic acid (PubChem CID 82321311) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 3-[(2-chloro-3-pyridinyl)-(cyclopropanecarbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-chloro-3-pyridinyl)-(cyclopropanecarbonyl)amino]-2-methylpropanoic acid
PubChem CID82321311
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name3-[(2-chloro-3-pyridinyl)-(cyclopropanecarbonyl)amino]-2-methylpropanoic acid
SMILESCC(CN(C(=O)C1CC1)c1cccnc1Cl)C(=O)O
InChIInChI=1S/C13H15ClN2O3/c1-8(13(18)19)7-16(12(17)9-4-5-9)10-3-2-6-15-11(10)14/h2-3,6,8-9H,4-5,7H2,1H3,(H,18,19)
InChIKeyKDQXYLBJNXJKPF-UHFFFAOYSA-N
XLogP2.20
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-3-pyridinyl)-(cyclopropanecarbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2-chloro-3-pyridinyl)-(cyclopropanecarbonyl)amino]-2-methylpropanoic acid (CID 82321311) is 3-[(2-chloro-3-pyridinyl)-(cyclopropanecarbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-chloro-3-pyridinyl)-(cyclopropanecarbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-chloro-3-pyridinyl)-(cyclopropanecarbonyl)amino]-2-methylpropanoic acid is CC(CN(C(=O)C1CC1)c1cccnc1Cl)C(=O)O.
What is the InChIKey of 3-[(2-chloro-3-pyridinyl)-(cyclopropanecarbonyl)amino]-2-methylpropanoic acid?
The InChIKey is KDQXYLBJNXJKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-8(13(18)19)7-16(12(17)9-4-5-9)10-3-2-6-15-11(10)14/h2-3,6,8-9H,4-5,7H2,1H3,(H,18,19).
What are the key properties of 3-[(2-chloro-3-pyridinyl)-(cyclopropanecarbonyl)amino]-2-methylpropanoic acid?
3-[(2-chloro-3-pyridinyl)-(cyclopropanecarbonyl)amino]-2-methylpropanoic acid has a molecular weight of 282.73 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-3-pyridinyl)-(cyclopropanecarbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82321311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).